Decanoic anhydride

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  • Identifiers

    CAS number
    2082-76-0

    Molecular formula
    C20H38O3

    SMILES
    CCCCCCCCCC(=O)OC(=O)CCCCCCCCC

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fatty 78.23%
    Waxy 67.02%
    Oily 58.56%
    Creamy 40.81%
    Dairy 38.68%
    Winey 32.1%
    Milky 31.47%
    Buttery 31.44%
    Coconut 28.09%
    Odorless 27.27%

     

    Flavor
    Fatty 60.78%
    Waxy 56.05%
    Oily 47.12%
    Coconut 38.75%
    Fat 37.33%
    Creamy 37.0%
    Mild 36.03%
    Soapy 34.05%
    Fruity 29.37%
    Faint 28.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    6.93 (neutral)

    Molecular weight
    326.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    370°C

    Flash point

    • 175.06 ˚C est.

  • Synonyms

    • DECANOIC ANHYDRIDE
    • 2082-76-0
    • DTXSID80174935
    • EINECS 218-213-4
    • RefChem:585520
    • DTXCID3097426
    • 218-213-4
    • decanoyl decanoate
    • Decanoic acid, 1,1'-anhydride
    • decanoicanhydride
    • Capric anhydride
    • n-Capric anhydride
    • MFCD00010460
    • Decanoic acid, anhydride
    • n-decanoic anhydride
    • decanoic acid anhydride
    • Decanoic anhydride, 96%
    • orb1705178
    • SCHEMBL1904892
    • HTWWKYKIBSHDPC-UHFFFAOYSA-
    • CAA08276
    • AKOS015950638
    • HY-W127412
    • AS-80679
    • SY052769
    • DB-045399
    • CS-0185646
    • NS00026749
    • D89186
    • InChI=1/C20H38O3/c1-3-5-7-9-11-13-15-17-19(21)23-20(22)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
    • 2082-76-0

  • Applications

    Decanoic anhydride is primarily used as an acylating agent in organic synthesis, enabling formation of decanoyl esters and amides by reacting with alcohols and amines; it also serves as a key intermediate for preparing long-chain fatty acid derivatives that find application in cosmetics and personal care as emollient esters and related ingredients. In polymer and plastics manufacturing, it may be used as a precursor for decanoate-functional monomers or additives and can act as a processing aid or plasticizer in certain resin systems. In fragrance and perfumery chemistry, it is commonly evaluated for constructing long-chain acyl fragments that contribute to scent profiles or fragrance ingredient synthesis. In coatings and inks formulations, decanoic anhydride can be used as a reactive acyl donor to modify resins and influence film-forming properties. Overall, its use is as a reactive intermediate and building block for long-chain fatty acyl derivatives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 163.22
    methanol 157.97
    isopropanol 222.74
    water 0.07
    ethyl acetate 876.87
    n-propanol 214.07
    acetone 885.94
    n-butanol 238.72
    acetonitrile 311.19
    DMF 1755.24
    toluene 488.34
    isobutanol 250.53
    1,4-dioxane 754.22
    methyl acetate 630.71
    THF 2454.23
    2-butanone 978.34
    n-pentanol 187.91
    sec-butanol 277.44
    n-hexane 75.35
    ethylene glycol 15.25
    NMP 3564.55
    cyclohexane 290.27
    DMSO 1677.22
    n-butyl acetate 860.78
    n-octanol 164.18
    chloroform 2361.78
    n-propyl acetate 933.0
    acetic acid 360.55
    dichloromethane 2683.24
    cyclohexanone 2886.45
    propylene glycol 55.5
    isopropyl acetate 781.02
    DMAc 2402.71
    2-ethoxyethanol 364.68
    isopentanol 309.47
    n-heptane 43.73
    ethyl formate 404.48
    1,2-dichloroethane 2076.25
    n-hexanol 163.19
    2-methoxyethanol 460.3
    isobutyl acetate 603.24
    tetrachloromethane 425.43
    n-pentyl acetate 1006.08
    transcutol 1739.94
    n-heptanol 141.58
    ethylbenzene 267.07
    MIBK 812.56
    2-propoxyethanol 410.51
    tert-butanol 397.83
    MTBE 674.75
    2-butoxyethanol 429.49
    propionic acid 384.04
    o-xylene 369.76
    formic acid 66.34
    diethyl ether 471.29
    m-xylene 343.48
    p-xylene 436.04
    chlorobenzene 932.73
    dimethyl carbonate 285.12
    n-octane 23.07
    formamide 194.15
    cyclopentanone 3078.28
    2-pentanone 1012.98
    anisole 595.43
    cyclopentyl methyl ether 1313.76
    gamma-butyrolactone 2722.81
    1-methoxy-2-propanol 524.95
    pyridine 1347.11
    3-pentanone 855.71
    furfural 1750.63
    n-dodecane 15.02
    diethylene glycol 167.19
    diisopropyl ether 226.14
    tert-amyl alcohol 455.05
    acetylacetone 1344.55
    n-hexadecane 19.33
    acetophenone 788.11
    methyl propionate 733.53
    isopentyl acetate 896.26
    trichloroethylene 3519.67
    n-nonanol 165.23
    cyclohexanol 610.16
    benzyl alcohol 348.88
    2-ethylhexanol 190.61
    isooctanol 160.25
    dipropyl ether 397.93
    1,2-dichlorobenzene 1046.63
    ethyl lactate 303.44
    propylene carbonate 1413.92
    n-methylformamide 503.48
    2-pentanol 226.48
    n-pentane 48.0
    1-propoxy-2-propanol 433.91
    1-methoxy-2-propyl acetate 813.96
    2-(2-methoxypropoxy) propanol 429.19
    mesitylene 237.21
    ε-caprolactone 2148.69
    p-cymene 166.06
    epichlorohydrin 2546.91
    1,1,1-trichloroethane 2027.68
    2-aminoethanol 68.25
    morpholine-4-carbaldehyde 1842.93
    sulfolane 4343.94
    2,2,4-trimethylpentane 49.49
    2-methyltetrahydrofuran 1817.6
    n-hexyl acetate 966.29
    isooctane 28.5
    2-(2-butoxyethoxy)ethanol 567.74
    sec-butyl acetate 728.26
    tert-butyl acetate 1059.74
    decalin 118.01
    glycerin 89.15
    diglyme 1395.55
    acrylic acid 286.06
    isopropyl myristate 295.72
    n-butyric acid 782.44
    acetyl acetate 600.16
    di(2-ethylhexyl) phthalate 251.34
    ethyl propionate 820.59
    nitromethane 1016.66
    1,2-diethoxyethane 763.09
    benzonitrile 588.93
    trioctyl phosphate 177.52
    1-bromopropane 987.52
    gamma-valerolactone 3079.51
    n-decanol 105.48
    triethyl phosphate 352.64
    4-methyl-2-pentanol 168.67
    propionitrile 364.26
    vinylene carbonate 999.6
    1,1,2-trichlorotrifluoroethane 1355.05
    DMS 653.85
    cumene 187.47
    2-octanol 149.09
    2-hexanone 817.4
    octyl acetate 367.72
    limonene 330.85
    1,2-dimethoxyethane 1092.97
    ethyl orthosilicate 322.09
    tributyl phosphate 269.95
    diacetone alcohol 901.86
    N,N-dimethylaniline 426.43
    acrylonitrile 444.11
    aniline 460.07
    1,3-propanediol 153.59
    bromobenzene 1127.06
    dibromomethane 1692.2
    1,1,2,2-tetrachloroethane 3168.44
    2-methyl-cyclohexyl acetate 634.52
    tetrabutyl urea 426.01
    diisobutyl methanol 141.8
    2-phenylethanol 295.5
    styrene 363.76
    dioctyl adipate 506.66
    dimethyl sulfate 743.5
    ethyl butyrate 736.87
    methyl lactate 317.56
    butyl lactate 555.96
    diethyl carbonate 406.97
    propanediol butyl ether 360.33
    triethyl orthoformate 508.66
    p-tert-butyltoluene 158.53
    methyl 4-tert-butylbenzoate 697.74
    morpholine 1225.23
    tert-butylamine 263.96
    n-dodecanol 75.84
    dimethoxymethane 694.61
    ethylene carbonate 884.2
    cyrene 523.99
    2-ethoxyethyl acetate 1016.06
    2-ethylhexyl acetate 736.03
    1,2,4-trichlorobenzene 1283.78
    4-methylpyridine 1436.55
    dibutyl ether 493.35
    2,6-dimethyl-4-heptanol 141.8
    DEF 1532.41
    dimethyl isosorbide 1104.18
    tetrachloroethylene 1815.19
    eugenol 512.46
    triacetin 974.26
    span 80 444.71
    1,4-butanediol 66.76
    1,1-dichloroethane 1690.22
    2-methyl-1-pentanol 239.41
    methyl formate 338.98
    2-methyl-1-butanol 292.61
    n-decane 32.82
    butyronitrile 445.04
    3,7-dimethyl-1-octanol 199.78
    1-chlorooctane 234.25
    1-chlorotetradecane 71.57
    n-nonane 31.08
    undecane 20.77
    tert-butylcyclohexane 77.94
    cyclooctane 59.71
    cyclopentanol 688.85
    tetrahydropyran 1329.03
    tert-amyl methyl ether 617.03
    2,5,8-trioxanonane 760.15
    1-hexene 249.29
    2-isopropoxyethanol 337.43
    2,2,2-trifluoroethanol 186.17
    methyl butyrate 1236.8

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction